1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide

C19H15F3N4O — CID 157037746

IUPAC1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide
SMILESCc1nc2c(c3cc(C(N)=O)ccc3n2-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C19H15F3N4O/c1-10-24-18-16(25(10)2)14-9-11(17(23)27)3-8-15(14)26(18)13-6-4-12(5-7-13)19(20,21)22/h3-9H,1-2H3,(H2,23,27)
InChIKeyBQDITTHQKVOMQG-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.94
Rot. Bonds2

About 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide

1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide (PubChem CID 157037746) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide
PubChem CID157037746
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide
SMILESCc1nc2c(c3cc(C(N)=O)ccc3n2-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C19H15F3N4O/c1-10-24-18-16(25(10)2)14-9-11(17(23)27)3-8-15(14)26(18)13-6-4-12(5-7-13)19(20,21)22/h3-9H,1-2H3,(H2,23,27)
InChIKeyBQDITTHQKVOMQG-UHFFFAOYSA-N
XLogP3.94
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037094
2-(pyridin-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 168788059
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037796
1,2-dimethyl-4-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]indole-7-carboxylic acid
CID 157038049
3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
CID 157037356
sodium 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037365
N-[(2R)-1-hydroxypropan-2-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide
CID 166838337
5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680935
N-(1-hydroxypropan-2-yl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037940
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 166838335
ethyl 5-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole-8-carboxylate
CID 162680864
3-(methylsulfonimidoyl)propyl 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037088

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide?
The IUPAC name of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide (CID 157037746) is 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide.
What is the SMILES notation for 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide?
The canonical SMILES for 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide is Cc1nc2c(c3cc(C(N)=O)ccc3n2-c2ccc(C(F)(F)F)cc2)n1C.
What is the InChIKey of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide?
The InChIKey is BQDITTHQKVOMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-10-24-18-16(25(10)2)14-9-11(17(23)27)3-8-15(14)26(18)13-6-4-12(5-7-13)19(20,21)22/h3-9H,1-2H3,(H2,23,27).
What are the key properties of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide?
1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide is sourced from PubChem (CID 157037746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).